Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q504Y3

UPID:
ZCPW2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q504Y3

BACKGROUND:
The Zinc finger CW-type PWWP domain protein 2, identified by the unique identifier Q504Y3, is integral to the process of histone methylation, binding to histone H3 at 'Lys-4'. Its binding affinity varies across the methylation spectrum, showing a distinct preference that highlights its role in the dynamic regulation of chromatin structure and function.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Zinc finger CW-type PWWP domain protein 2 illuminates pathways to novel therapeutic interventions. Given its pivotal role in modulating histone methylation, it stands at the forefront of research into epigenetic mechanisms underlying disease pathogenesis.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.